3-(2-methylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(2-methylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(o-tolyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(o-tolyl)-5-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-1,2,4-oxadiazole Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H20N4O3S2/c1-14-6-2-3-7-16(14)19-21-17(26-22-19)13-27-18-9-8-15(12-20-18)28(24,25)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13H2,1H3